2-[[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl]ethylazanium

Systemtic Name: 2-[[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl]ethylazanium Openeye Name: 2-[[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl]ethylammonium CAS Name: 2-[[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]thio]ethylammonium IUPAC Name: 2-[[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl]ethylazanium Traditional Name: 2-[[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]thio]ethylammonium Formula: C17H19N4S+ MolecularWeight: 311.42456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=NNC(=N2)SCC[NH3+])C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2C(=NNC(=N2)SCC[NH3+])C3=CC=CC=C3

InChI

InChI=1S/C17H18N4S/c18-11-12-22-17-19-15(13-7-3-1-4-8-13)16(20-21-17)14-9-5-2-6-10-14/h1-10,15H,11-12,18H2,(H,19,21)/p+1/t15-/m0/s1